CID 59119827

C9H18BO3P — CID 59119827

IUPAC—
SMILES[2H]P(=C)(OC)OC1C(CC)OC([B])C1C
InChIInChI=1S/C9H18BO3P/c1-5-7-8(13-14(4)11-3)6(2)9(10)12-7/h6-9,14H,4-5H2,1-3H3/i14D
InChIKeyIBRCIBRDNJBNBW-FCFVPJCTSA-N
MW217.03 g/mol
LogP1.43
Rot. Bonds4

About CID 59119827

CID 59119827 (PubChem CID 59119827) has the molecular formula C9H18BO3P and a molecular weight of 217.03 g/mol.

Molecular Properties

Compound NameCID 59119827
PubChem CID59119827
Molecular FormulaC9H18BO3P
Molecular Weight217.03 g/mol
Exact Mass217.11
IUPAC Name—
SMILES[2H]P(=C)(OC)OC1C(CC)OC([B])C1C
InChIInChI=1S/C9H18BO3P/c1-5-7-8(13-14(4)11-3)6(2)9(10)12-7/h6-9,14H,4-5H2,1-3H3/i14D
InChIKeyIBRCIBRDNJBNBW-FCFVPJCTSA-N
XLogP1.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.03
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59119827?
The IUPAC name of CID 59119827 (CID 59119827) is not available.
What is the SMILES notation for CID 59119827?
The canonical SMILES for CID 59119827 is [2H]P(=C)(OC)OC1C(CC)OC([B])C1C.
What is the InChIKey of CID 59119827?
The InChIKey is IBRCIBRDNJBNBW-FCFVPJCTSA-N. The full InChI is InChI=1S/C9H18BO3P/c1-5-7-8(13-14(4)11-3)6(2)9(10)12-7/h6-9,14H,4-5H2,1-3H3/i14D.
What are the key properties of CID 59119827?
CID 59119827 has a molecular weight of 217.03 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59119827 is sourced from PubChem (CID 59119827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).